Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EDA

Summary
Name:3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
Formula:C12 H14 N5 O6 P
Formal charge:0
Formula weight:355.243 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purine
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)CC4O
SMILES_CANONICALCACTVS3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c4nccn4cnc23
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c4nccn4cnc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0c1cn2cnc3c(c2n1)ncn3C4CC(C(O4)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C12H14N5O6P/c18-7-3-9(23-8(7)4-22-24(19,20)21)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18H,3-4H2,(H2,19,20,21)/t7-,8+,9+/m0/s1
InChIKeyInChI1.03CACCSKNYAUKFAV-DJLDLDEBSA-N

222926

건을2024-07-24부터공개중

PDB statisticsPDBj update infoContact PDBjnumon